Machine-learned pharmacology optimization
AssigneeCreyon Bio, Inc.
InventorSwagatam Mukhopadhyay
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Abstract
Aspects of the present disclosure include methods for optimizing pharmacological compound development and methods for optimizing one or more modifications of a compound. Aspects of the present disclosure further include methods for designing treatments for a disease, and methods for designing optimized candidate compounds to treat a disease that causes one or more disease effects. Aspects of the present disclosure further include computer-implemented methods for training a model for pharmacological compound design, and computer-implemented methods for optimizing chemical modification of pharmacological compounds.
Claims8
A method for optimizing pharmacological compound development, comprising:
- a. accessing, for each compound of a plurality of compounds, effect information describing an effect of the compound;
- b. iteratively training a machine-learned compound experiment model until a threshold criterion is satisfied by:
- i. generating, for each of a plurality of experiments, a corresponding set of compounds to combine together in the experiment using the effect information;
- ii. performing, for each of the plurality of experiments, the experiment by applying the corresponding set of compounds in a subject;
- iii. determining, for each of the plurality of experiments, a resulting set of effects of the applied set of compounds within the subject;
- iv. determining, for each of the plurality of experiments, an association between each effect of the resulting set of effects and a compound of the applied set of compounds to which the effect is attributed;
- and
- v. updating the effect information based on the determined associations between effects and compounds;
- vi. wherein the total number of experiments performed while training the compound experiment model is less than a total number of possible combinations of the plurality of compounds.
Dependencies are inferred from the claim text.